UCSF

ZINC03921419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.54 0.88 -3.36 2 2 0 40 170.252 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0476885B1; EP0700887A2; EP0700887B1; EP0940171A2; EP0967007A2; US5130136; US5608088; US5695974; US5698209; US5925371; US6113936; US6156245 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )